SCHEMBL8953673

SCHEMBL8953673

CC(=O)N(C)c1ccc(COc2cc(F)cc(C(=NO)C3CCOCC3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.37
MAOB P27338 2/20 0.37
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
NR4A2 P43354 1/20 0.33
F10 P00742 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8953782 0.90 MAOB (0.40) ALOX5MAOBKMT2APPARARXRA
SCHEMBL8953777 0.87 MAOB (0.43) MAOBKMT2ANR4A2
SCHEMBL8953702 0.87 MAOB (0.43) MAOBKMT2ANR4A2
SCHEMBL8953842 0.82 ALOX5 (0.35) ALOX5
SCHEMBL8953666 0.79 ALOX5 (0.37) ALOX5MAOBPPARARXRANR1H2
SCHEMBL8953670 0.79 ALOX5 (0.37) ALOX5MAOBPPARARXRANR1H2
SCHEMBL8953864 0.78 MAOB (0.47) MAOBKMT2ANR4A2
SCHEMBL8953917 0.78 ALOX5 (0.38) ALOX5MAOBRXRANR1H2NR1H3
SCHEMBL8953821 0.78 POLB (0.38) ALOX5MAOBKMT2ARXRANR1H2
SCHEMBL8953916 0.76 ALOX5 (0.37) ALOX5MAOBRXRANR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed